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2,2'-(p-phenylene)-bis(4-methyl-5-methylthio-1,3,4-thiadiazolium) diperchlorate
SpectraBase Compound ID 7kFo7KVBfBl
InChI InChI=1S/C14H16N4S4.2ClHO4/c1-17-13(19-3)21-11(15-17)9-5-7-10(8-6-9)12-16-18(2)14(20-4)22-12;2*2-1(3,4)5/h5-8H,1-4H3;2*(H,2,3,4,5)/q+2;;/p-2
InChIKey SAMSWSINNGRSSJ-UHFFFAOYSA-L
Mol Weight 567.45 g/mol
Molecular Formula C14H16Cl2N4O8S4
Exact Mass 565.922804 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4c6dkUHTcvD
Name 2,2'-(p-phenylene)-bis(4-methyl-5-methylthio-1,3,4-thiadiazolium) diperchlorate
Alternate Name(s) 3-Methyl-5-{4-[3-methyl-2-(methylsulfanyl)-1,3,4-thiadiazol-3-ium-5-yl]phenyl}-2-(methylsulfanyl)-1,3,4-thiadiazol-3-ium diperchlorate
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Formula C14H16Cl2N4O8S4
InChI InChI=1S/C14H16N4S4.2ClHO4/c1-17-13(19-3)21-11(15-17)9-5-7-10(8-6-9)12-16-18(2)14(20-4)22-12;2*2-1(3,4)5/h5-8H,1-4H3;2*(H,2,3,4,5)/q+2;;/p-2
InChIKey SAMSWSINNGRSSJ-UHFFFAOYSA-L
Molecular Weight 567.448 g/mol
SMILES [Cl]([O-])(=O)(=O)=O.c1(n[n+](c(s1)SC)C)-c1ccc(-c2sc(SC)[n+](n2)C)cc1.[Cl]([O-])(=O)(=O)=O
SPLASH splash10-0101-6951000000-f6f84486b8d77ddb359f
Source of Spectrum KC-1991-1164-20
Wiley ID 1407253